1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole

C18H27N3 — CID 95487496

IUPAC1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
SMILESCC(C)C[C@@H](c1cn(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-14(2)12-18(21-10-8-19-9-11-21)16-13-20(3)17-7-5-4-6-15(16)17/h4-7,13-14,18-19H,8-12H2,1-3H3/t18-/m0/s1
InChIKeyFUGVPFMFRKHACV-SFHVURJKSA-N
MW285.44 g/mol
LogP3.17
Rot. Bonds4

About 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole

1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole (PubChem CID 95487496) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
PubChem CID95487496
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
SMILESCC(C)C[C@@H](c1cn(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-14(2)12-18(21-10-8-19-9-11-21)16-13-20(3)17-7-5-4-6-15(16)17/h4-7,13-14,18-19H,8-12H2,1-3H3/t18-/m0/s1
InChIKeyFUGVPFMFRKHACV-SFHVURJKSA-N
XLogP3.17
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063
1-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371
2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171274668
1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278738
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
CID 116860335
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole
CID 171278741
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
1-[3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]indol-1-yl]ethanone;dihydrochloride
CID 171310478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole?
The IUPAC name of 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole (CID 95487496) is 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole.
What is the SMILES notation for 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole?
The canonical SMILES for 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole is CC(C)C[C@@H](c1cn(C)c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole?
The InChIKey is FUGVPFMFRKHACV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)12-18(21-10-8-19-9-11-21)16-13-20(3)17-7-5-4-6-15(16)17/h4-7,13-14,18-19H,8-12H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole?
1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole has a molecular weight of 285.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole is sourced from PubChem (CID 95487496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).